Novel Natural Surfactant-Based Fatty Acids and Their Corrosion-Inhibitive Characteristics for Carbon Steel-Induced Sweet Corrosion: Detailed Practical and Computational Explorations

Abstract

Steel alloys are significant industrial substances, but they generally suffer severe corrosion under harsh conditions. Using inhibitors is an efficacious method to impede corrosion. So, in this study, two novel natural surfactants based on soybean oil have been synthesized by a facile route, namely, 1-(bis(2-hydroxyethyl)amino)-1-oxooctadecan-9-yl sulfate 2-hydroxyethan-1-aminium (CSM) and–N-(C2H4-OH)2; 1-(bis(2-hydroxyethyl)amino)-1-oxooctadecan-9-yl sulfate bis(2-hydroxyethyl)aminium (CSD), and their chemical structures were elucidated by physical–chemical approaches, Fourier transform infrared (FT-IR) spectroscopy, and surface activity measurements. The inhibitive effect of natural surfactants (CSM and CSD) on the C-steel corrosion in CO2-saturated 3.5% NaCl has been estimated in this investigation by electrochemical and surface analyses including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), linear polarization resistance (LPR) corrosion rate, X-ray photoelectron spectroscopy (XPS), and field-emission scanning electron microscope/energy-dispersive X-ray spectroscopy (FESEM/EDX) approaches. The EIS study reveals the value of Rp augmented to an increase of 913.5 Ω cm2 with a protection capacity of 96.1% at 150 ppm (CSD). The outcomes of PDP suggested that CSM and CSD are mixed-type inhibitors. XPS and FESEM/EDX analyses determined the protective film formation on a metal interface having undamaged surface morphology and more homogeneities in the occurrence of the surfactant. Moreover, the adsorption of natural surfactants on the metal substrate takes place based on the model of Langmuir isotherm. Density functional theory (DFT) calculations and Monte Carlo (MC) simulations were selected for attaining basic atomic/electronic-scale details about the prepared surfactants, which support the practical findings. This study is intended to investigate the protection of C-steel using sweet service conditions with green extract surfactants.

Facile Synthesis and Characterization of CeO2-Nanoparticle-Loaded Carboxymethyl Cellulose as Efficient Protective Films for Mild Steel: A Comparative Study of Experiential and Computational Findings

“…Primarily, the energy optimization of the adsorbate molecules was implemented via the COMPASS module [ 46 ]. Afterward, the adsorption of the CeO 2 -CMC, hydronium ions, Cl − ions, hydronium ions, and water molecules onto the surface of Fe(110) was executed in a simulation box (37.24 Å × 37.24 Å × 59.81 Å) [ 47 ].…”

Targeted synthesis of two iron(III) tetradentate dibasic chelating Schiff base complexes toward inhibition of acidic induced steel corrosion: Empirical and DFT insights

“…As is recognized, the chloride ion could adsorb on the steel interface upon the dipping of the studied corrosive medium, producing a negative charge film. [76,77] Indeed, electrostatic interaction efforts MABS, NABS, MABSFe, and NABSFe to transfer from the bulk medium to the metal interface owing to their reasonably positively charged interface. In the meantime, by feature of their high affinity and molecular weight, the MABS, NABS, MABSFe, and NABSFe molecules prevent the preadsorbed H 2 O molecules and aggressive ions and eventually adsorb on the metal interface, protecting both the anodic and cathodic locations.…”

Experimental and In-Silico Computational Modeling of Cerium Oxide Nanoparticles Functionalized by Gelatin as an Eco-Friendly Anti-Corrosion Barrier on X60 Steel Alloys in Acidic Environments

“…Initially, the energy of the adsorbate molecules had been optimized by the proceeding COMPASS module [31]. Subsequently, the adsorption of the CeO 2 @gelatin, Cl − ions, hydronium ions, and water molecules with the surface of Fe(110) was implemented in a simulation box (37.24 Å × 37.24 Å × 59.81 Å) [32].…”